PA452

CAT: 0013-GTR19203532-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19203532-02Size:5 mg

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Description

PA452 is a selective RXR antagonist that inhibits retinoic acid-mediated modulation of Th1/Th2 cell differentiation. This small molecule is a valuable research tool for studying RXR function in immunology, inflammation, and autoimmune disease models, applicable in both in vitro and in vivo experimental systems.

CAS Number

457657-34-0

Product Name Alternative

PA452, PA-452, PA 452, RAR, RAR/RXR, Retinoid Receptor, RetinoidReceptor, RXR

Field of Research

Metabolism Research

Purity

96.76% (May vary between batches)

Solubility

DMSO:36 mg/mL (81.89 mM) ; Ethanol:4.4 mg/mL (10.01 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.55 mM)

Smiles

CCCCCCOc1cc2c (cc1N (C) c1ncc (cn1) C (O) =O) C (C) (C) CCC2 (C) C

Molecular Formula

C26H37N3O3

Molecular Weight

439.59

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-((3-(Hexyloxy)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)(methyl)amino)pyrimidine-5-carboxylic acid

CAS Number	457657-34-0
PubChem CID	9803242
IUPAC Name	2-[(3-hexoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-methylamino]pyrimidine-5-carboxylic acid
Molecular Formula	C26H37N3O3
Molecular Weight	439.6
XLogP	7.2
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	32
Formal Charge	0
Complexity	615

SMILES

CCCCCCOC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)N(C)C3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C26H37N3O3/c1-7-8-9-10-13-32-22-15-20-19(25(2,3)11-12-26(20,4)5)14-21(22)29(6)24-27-16-18(17-28-24)23(30)31/h14-17H,7-13H2,1-6H3,(H,30,31)

InChIKey

JJUUTJCZMGZJDZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 457657-34-0

CID: 9803242

Formula: C26H37N3O3

MW: 439.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	439.6
XLogP3	7.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	439.28349205
Monoisotopic Mass	439.28349205
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	615
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BUP05584-01	PA452

PA452

Chemical Information

Alternative Products

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